N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromanyl-1H-indol-3-yl)-6-(2-phenylethynyl)quinoline-4-carboxamide

Systemtic Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromanyl-1H-indol-3-yl)-6-(2-phenylethynyl)quinoline-4-carboxamide Openeye Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-6-(2-phenylethynyl)quinoline-4-carboxamide CAS Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-6-(2-phenylethynyl)-4-quinolinecarboxamide IUPAC Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-6-(2-phenylethynyl)quinoline-4-carboxamide Traditional Name: N-[4-(aminomethyl)benzyl]-2-(5-bromo-1H-indol-3-yl)-6-(2-phenylethynyl)cinchoninamide Formula: C34H25BrN4O MolecularWeight: 585.4925

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)N=C(C=C3C(=O)NCC4=CC=C(C=C4)CN)C5=CNC6=C5C=C(C=C6)Br

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)N=C(C=C3C(=O)NCC4=CC=C(C=C4)CN)C5=CNC6=C5C=C(C=C6)Br

InChI

InChI=1S/C34H25BrN4O/c35-26-13-15-31-28(17-26)30(21-37-31)33-18-29(34(40)38-20-25-10-8-24(19-36)9-11-25)27-16-23(12-14-32(27)39-33)7-6-22-4-2-1-3-5-22/h1-5,8-18,21,37H,19-20,36H2,(H,38,40)